8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one


Chemical Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one
CAS Number: 55779-48-1
Product Number: AG00I9Y7(AGN-PC-0JK6D4)
Synonyms:
MDL No: MFCD00467176
Molecular Formula: C26H21N3O3
Molecular Weight: 423.4632

Identification/Properties


Properties
MP:
176–181 ℃ (decompose)
BP:
641.4°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Stability:
Moisture & Light Sensitive
Solubility:
methanol and ethanol: soluble
Computed Properties
Molecular Weight:
423.472g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
423.158g/mol
Monoisotopic Mass:
423.158g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
585
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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